UCSF

ZINC51919044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 17 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) 1.24 5.64 -78.55 3 3 2 24 241.423 4
Mid Mid (pH 6-8) 1.24 5.26 -93.56 3 3 2 24 241.423 4
Mid Mid (pH 6-8) 1.24 7.89 -165.69 4 3 3 25 242.431 4

Activity (Go SEA)

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