UCSF

ZINC08648371

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 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) 2.08 5.49 -12.81 1 4 0 63 246.291 4
Hi High (pH 8-9.5) 2.54 4.37 -45.54 0 4 -1 66 245.283 4
Mid Mid (pH 6-8) 2.08 4.88 -19.47 1 4 0 63 246.291 4

Activity (Go SEA)

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