UCSF

ZINC23262359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 24 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) 2.37 7.25 -40.97 2 4 1 37 344.504 6
Hi High (pH 8-9.5) 2.37 4.93 -9.08 1 4 0 36 343.496 6
Mid Mid (pH 6-8) 2.37 7.64 -36.16 2 4 1 37 344.504 6

Activity (Go SEA)

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