UCSF

ZINC20532083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 30 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) 3.43 9.17 -11.6 1 7 0 71 435.59 6
Mid Mid (pH 6-8) 3.43 11.15 -51.95 2 7 1 72 436.598 6

Activity (Go SEA)

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