UCSF

ZINC01514227

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 28 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) 3.57 -6.53 -16.13 3 8 0 113 437.934 6
Hi High (pH 8-9.5) 3.57 -5.96 -47.18 2 8 -1 115 436.926 6

Activity (Go SEA)

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