UCSF

ZINC40175581

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) 0.44 8.38 -60.08 0 4 -1 62 266.223 2
Mid Mid (pH 6-8) 0.44 7.56 -23.23 1 4 0 65 267.231 2

Activity (Go SEA)

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