UCSF

ZINC40402221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 16 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 4.69 -59.46 1 5 -1 78 219.22 4
Mid Mid (pH 6-8) 1.02 5.17 -64.06 2 5 0 79 220.228 4

Activity (Go SEA)

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