UCSF

ZINC42462607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 1.65 3.92 -11.02 1 5 0 63 272.304 4
Hi High (pH 8-9.5) 1.65 4.84 -53.71 0 5 -1 65 271.296 4
Lo Low (pH 4.5-6) 1.65 4.4 -33.97 2 5 1 64 273.312 4

Activity (Go SEA)

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