UCSF

ZINC31946073

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 No

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) 0.17 3.57 -10.63 0 4 0 36 253.733 3
Mid Mid (pH 6-8) 0.17 5.85 -53.19 1 4 1 38 254.741 3

Activity (Go SEA)

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