UCSF

ZINC00623680

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 Yes

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) 5.20 0.53 -13.17 1 4 0 46 406.283 3
Mid Mid (pH 6-8) 1.46 0.71 -29.29 2 4 1 48 407.291 3

Activity (Go SEA)

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