UCSF

ZINC37851868

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.71 4.36 -113.76 4 4 2 51 254.374 9
Hi High (pH 8-9.5) 0.71 0.46 -6.12 2 4 0 45 252.358 9
Mid Mid (pH 6-8) 0.71 2.93 -37.85 3 4 1 46 253.366 9

Activity (Go SEA)

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