UCSF

ZINC34938851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 1.76 5.09 -13.58 1 4 0 63 246.291 3
Hi High (pH 8-9.5) 2.22 3.12 -53.69 0 4 -1 66 245.283 3
Mid Mid (pH 6-8) 1.76 4.44 -22.04 1 4 0 63 246.291 3

Activity (Go SEA)

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