UCSF

ZINC22921748

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 33 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) 3.03 8.35 -46.01 2 7 1 74 492.065 7
Hi High (pH 8-9.5) 3.03 5.89 -39.41 0 7 -1 75 490.049 7
Mid Mid (pH 6-8) 3.03 8.42 -60.87 1 7 0 76 491.057 7

Activity (Go SEA)

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