UCSF

ZINC20261218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) -0.03 7.31 -55.41 3 3 1 45 216.308 4
Hi High (pH 8-9.5) -0.03 7.28 -6.27 2 3 0 44 215.3 4
Mid Mid (pH 6-8) -0.03 7.79 -104.58 4 3 2 47 217.316 4

Activity (Go SEA)

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