UCSF

ZINC36989967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 5.90 9.14 -5.44 1 2 0 25 256.393 7
Mid Mid (pH 6-8) 5.90 9.57 -26.68 2 2 1 26 257.401 7

Activity (Go SEA)

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