UCSF

ZINC44725265

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) -1.56 1.24 -41.23 2 5 1 55 205.278 8
Hi High (pH 8-9.5) -1.56 -0.19 -11.69 1 5 0 51 204.27 8

Activity (Go SEA)

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