UCSF

ZINC08628584

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2007 12 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) -1.04 -10.58 -33.89 5 6 1 99 175.164 1
Hi High (pH 8-9.5) -1.04 -12.85 -12.36 4 6 0 97 174.156 1

Activity (Go SEA)

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