UCSF

ZINC53129776

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) 0.14 2.84 -51.06 3 5 1 79 247.322 6
Hi High (pH 8-9.5) 0.14 2.55 -6.84 2 5 0 78 246.314 6
Lo Low (pH 4.5-6) 0.14 3.3 -96.12 4 5 2 81 248.33 6

Activity (Go SEA)

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