UCSF

ZINC01536438

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 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) 3.08 9.42 -36.86 2 3 1 39 263.336 8
Mid Mid (pH 6-8) 3.08 8.96 -10.59 1 3 0 38 262.328 8
Mid Mid (pH 6-8) 3.08 8.93 -10.21 1 3 0 38 262.328 8

Activity (Go SEA)

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