UCSF

ZINC45694463

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) -0.54 2.99 -11.04 1 6 0 76 242.275 7
Mid Mid (pH 6-8) -0.54 4.27 -58.72 2 6 1 80 243.283 7

Activity (Go SEA)

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