UCSF

ZINC53129613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) -0.18 2.44 -51.91 3 5 1 79 247.322 5
Hi High (pH 8-9.5) -0.18 2.12 -8 2 5 0 78 246.314 5
Lo Low (pH 4.5-6) -0.18 2.9 -92.26 4 5 2 81 248.33 5

Activity (Go SEA)

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