UCSF

ZINC03628406

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 Yes

Popular Name: 1,2,4,5-Tetrahydropyrrolo(1,2,3-ef)(1,5)benzodiazepin-6(7H)-one; BRN 0013033; LS-139271; Pyrrolo(1,2,3-ef)(1,5)benzodiazepin-6(7H)-one, 1,2,4,5-tetrahydro- 1,2,4,5-Tetrahydropyrrolo(1,2,3-…

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Other Names:

MFCD01687029

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 4.31 -8.04 1 3 0 32 188.23 0 ↓
Lo Low (pH 4.5-6) 1.29 5.04 -39.95 2 3 1 34 189.238 0 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )