UCSF

ZINC36235937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 0.72 -2.03 -51.33 5 6 1 95 253.278 3
Hi High (pH 8-9.5) 0.72 -3.49 -13.09 4 6 0 91 252.27 3
Hi High (pH 8-9.5) 0.72 -2.48 -57.51 3 6 -1 94 251.262 3

Activity (Go SEA)

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