UCSF

ZINC42802188

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 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) 3.14 5.98 -45.15 1 3 -1 52 210.64 4
Lo Low (pH 4.5-6) 3.14 3.98 -4.95 2 3 0 49 211.648 4

Activity (Go SEA)

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