UCSF

ZINC34963048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.37 5.95 -54.86 6 6 1 95 271.348 3
Hi High (pH 8-9.5) 1.37 5.66 -7.43 5 6 0 93 270.34 3
Mid Mid (pH 6-8) 1.37 5.59 -90.5 7 6 2 96 272.356 3
Mid Mid (pH 6-8) 1.37 6.37 -98.99 7 6 2 96 272.356 3

Activity (Go SEA)

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