UCSF

ZINC06940223

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 31 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) 4.18 9.34 -49.7 3 5 1 65 422.545 12
Hi High (pH 8-9.5) 4.18 7.95 -9.85 2 5 0 60 421.537 12

Activity (Go SEA)

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