UCSF

ZINC20917047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 27 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) 2.30 9.25 -90.73 3 6 2 54 375.561 7
Mid Mid (pH 6-8) 2.30 6.95 -45.29 2 6 1 53 374.553 7

Activity (Go SEA)

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