UCSF

ZINC34963828

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 1.81 4.95 -43.62 3 2 1 31 259.295 4
Mid Mid (pH 6-8) 1.81 6.35 -35.14 3 2 1 30 259.295 4

Activity (Go SEA)

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