UCSF

ZINC37821697

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) 1.17 3.63 -42.77 3 4 1 51 256.414 5
Hi High (pH 8-9.5) 1.17 3.3 -6.75 2 4 0 50 255.406 5
Mid Mid (pH 6-8) 1.17 5.56 -102.51 4 4 2 52 257.422 5

Activity (Go SEA)

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