UCSF

ZINC37986673

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 0.31 2.74 -17.8 3 6 0 86 241.254 3
Lo Low (pH 4.5-6) 0.31 2.75 -14.48 3 6 0 86 241.254 3
Lo Low (pH 4.5-6) 0.31 3.23 -44.87 4 6 1 88 242.262 3

Activity (Go SEA)

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