UCSF

ZINC37852193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.20 0.41 -45.53 3 6 1 68 305.439 13
Hi High (pH 8-9.5) 0.20 -0.95 -7.54 2 6 0 63 304.431 13
Lo Low (pH 4.5-6) 0.20 1.31 -39.54 3 6 1 64 305.439 13

Activity (Go SEA)

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