UCSF

ZINC35765579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 3.00 6.15 -132.35 4 4 2 51 312.841 5
Hi High (pH 8-9.5) 3.00 6.54 -37.43 3 4 1 49 311.833 5
Mid Mid (pH 6-8) 3.00 4.57 -50.37 3 4 1 49 311.833 5

Activity (Go SEA)

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