UCSF

ZINC36892178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 0.13 1.81 -49.16 2 6 -1 106 236.203 4
Mid Mid (pH 6-8) 0.59 -0.81 -97.85 1 6 -2 109 235.195 4

Activity (Go SEA)

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