UCSF

ZINC36998750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 0.23 3.53 -44.51 3 4 1 53 261.345 3
Hi High (pH 8-9.5) 0.23 2.88 -5.63 2 4 0 52 260.337 3
Lo Low (pH 4.5-6) 0.23 5.49 -132.15 4 4 2 54 262.353 3

Activity (Go SEA)

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