UCSF

ZINC31304973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 21 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) 1.02 3.23 -10.73 2 4 0 62 292.285 4
Mid Mid (pH 6-8) 1.08 1.93 -38.7 3 4 1 67 293.293 4

Activity (Go SEA)

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