UCSF

ZINC45658379

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 0.71 5.17 -94.46 4 3 2 35 215.385 4
Hi High (pH 8-9.5) 0.71 0.62 -39.02 3 3 1 34 214.377 4
Hi High (pH 8-9.5) 0.71 2.22 -31.03 3 3 1 34 214.377 4
Mid Mid (pH 6-8) 0.71 2.64 -108.79 4 3 2 35 215.385 4
Lo Low (pH 4.5-6) 0.71 5.2 -208.6 5 3 3 37 216.393 4
Lo Low (pH 4.5-6) 0.71 2.93 -102.14 4 3 2 35 215.385 4

Activity (Go SEA)

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