UCSF

ZINC21715308

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 3.03 7.49 -94.43 3 6 1 74 357.478 8
Mid Mid (pH 6-8) 3.03 7.05 -70.05 2 6 0 73 356.47 8

Activity (Go SEA)

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