UCSF

ZINC38086633

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 14 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) 2.03 4.29 -37.52 2 2 1 20 197.346 1
Mid Mid (pH 6-8) 2.03 4.71 -27.65 2 2 1 16 197.346 1
Lo Low (pH 4.5-6) 2.03 6.05 -111.17 3 2 2 21 198.354 1

Activity (Go SEA)

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