UCSF

ZINC36765925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 4.12 8.03 -27.72 3 3 1 45 309.231 3
Mid Mid (pH 6-8) 4.12 7.9 -6.07 2 3 0 44 308.223 3

Activity (Go SEA)

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