UCSF

ZINC00361331

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 No

Other Names:

MFCD04151058

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) 2.27 4.87 -16.97 2 5 0 74 284.315 6
Ref Reference (pH 7) 2.27 3.73 -14.95 2 5 0 74 284.315 6
Lo Low (pH 4.5-6) 2.27 4.15 -33.89 3 5 1 76 285.323 6
Lo Low (pH 4.5-6) 2.27 5.18 -32.13 3 5 1 76 285.323 6

Activity (Go SEA)

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