UCSF

ZINC36789455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.99 10.02 -43.65 2 3 1 33 286.443 7
Mid Mid (pH 6-8) 3.99 10.38 -90.08 3 3 2 34 287.451 7

Activity (Go SEA)

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