UCSF

ZINC36718255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 23 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) 3.05 5.29 -10.66 1 5 0 51 361.269 6
Mid Mid (pH 6-8) 3.05 7.25 -42.27 2 5 1 52 362.277 6

Activity (Go SEA)

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