UCSF

ZINC37010473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 1.89 8.15 -41.15 2 5 1 62 266.365 8
Mid Mid (pH 6-8) 1.89 6.91 -51.53 2 5 1 66 266.365 8

Activity (Go SEA)

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