UCSF

ZINC36876772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.98 7.26 -44.01 4 3 1 56 272.416 5
Hi High (pH 8-9.5) 1.98 7.57 -27.99 4 3 1 56 272.416 5
Hi High (pH 8-9.5) 1.98 6.95 -7.19 3 3 0 55 271.408 5
Mid Mid (pH 6-8) 1.98 7.8 -114.95 5 3 2 58 273.424 5

Activity (Go SEA)

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