UCSF

ZINC37800665

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.57 3.72 -43.59 2 5 1 53 306.308 6
Hi High (pH 8-9.5) 0.57 2.35 -9.02 1 5 0 49 305.3 6

Activity (Go SEA)

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