UCSF

ZINC36616321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 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) 3.42 12.29 -16.08 0 6 0 54 443.526 4
Mid Mid (pH 6-8) 3.42 14.15 -55.75 1 6 1 55 444.534 4

Activity (Go SEA)

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