UCSF

ZINC27534384

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 33 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) 5.79 13.81 -35.04 1 6 1 52 461.973 5
Mid Mid (pH 6-8) 5.79 11.25 -11.28 0 6 0 51 460.965 5

Activity (Go SEA)

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