UCSF

ZINC16283914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 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) 1.86 2.52 -57.33 1 4 0 53 213.306 4
Hi High (pH 8-9.5) 1.86 0.04 -46.16 0 4 -1 52 212.298 4
Lo Low (pH 4.5-6) 1.40 4.53 -47.62 2 4 1 50 214.314 4

Activity (Go SEA)

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