UCSF

ZINC37856491

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 0.36 0.4 -47.53 4 3 1 57 214.26 6
Hi High (pH 8-9.5) 0.36 -0.94 -6.4 3 3 0 52 213.252 6

Activity (Go SEA)

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