UCSF

ZINC34686221

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 1.21 6.35 -22.76 0 9 0 81 499.539 7
Mid Mid (pH 6-8) 1.21 8.61 -56.65 1 9 1 82 500.547 7

Activity (Go SEA)

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