UCSF

ZINC09573716

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 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) 1.69 -3.36 -18.23 2 7 0 93 382.445 7
Lo Low (pH 4.5-6) 1.69 -3.3 -47.55 3 7 1 94 383.453 7

Activity (Go SEA)

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