UCSF

ZINC40390034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 19 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) 4.73 10.43 -7.4 0 2 0 18 256.393 3
Mid Mid (pH 6-8) 4.73 11 -22.64 1 2 1 19 257.401 3

Activity (Go SEA)

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