UCSF

ZINC45686821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 0.79 2.37 -91.21 4 3 2 35 203.374 7
Hi High (pH 8-9.5) 0.79 0.96 -37.06 3 3 1 34 202.366 7
Lo Low (pH 4.5-6) 0.79 5.14 -200.3 5 3 3 37 204.382 7

Activity (Go SEA)

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