UCSF

ZINC32760156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 30 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) 1.45 8.81 -53.85 2 7 1 70 411.526 7
Mid Mid (pH 6-8) 1.45 8.81 -53.3 2 7 1 70 411.526 7
Mid Mid (pH 6-8) 1.45 6.48 -22.13 1 7 0 69 410.518 7

Activity (Go SEA)

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