UCSF

ZINC19871956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 Yes

Other Names:

MFCD07408136

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) 0.55 1.51 -127.47 5 5 2 72 254.33 7
Lo Low (pH 4.5-6) 0.55 0.22 -50.04 4 5 1 67 253.322 7

Activity (Go SEA)

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