UCSF

ZINC08597383

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 35 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) 3.91 12.62 -69.4 1 6 1 62 509.051 4
Mid Mid (pH 6-8) 3.91 10.42 -28.68 0 6 0 61 508.043 4

Activity (Go SEA)

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