UCSF

ZINC43911154

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 3.65 9.1 -37.8 2 2 1 20 287.402 7
Mid Mid (pH 6-8) 3.65 8.23 -3.03 1 2 0 15 286.394 7
Lo Low (pH 4.5-6) 3.65 11.05 -130.66 3 2 2 21 288.41 7

Activity (Go SEA)

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