UCSF

ZINC21814631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.63 8.94 -37.32 2 2 1 16 301.376 7
Mid Mid (pH 6-8) 3.63 10.19 -115.17 3 2 2 21 302.384 7
Mid Mid (pH 6-8) 3.63 7.67 -46.67 2 2 1 20 301.376 7

Activity (Go SEA)

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