UCSF

ZINC37821722

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) 1.48 3.95 -43.02 3 4 1 51 256.414 6
Hi High (pH 8-9.5) 1.48 3.6 -6.49 2 4 0 50 255.406 6
Mid Mid (pH 6-8) 1.48 5.88 -99.79 4 4 2 52 257.422 6

Activity (Go SEA)

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