UCSF

ZINC37387232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.67 6.62 -49.06 0 5 -1 64 291.371 4
Mid Mid (pH 6-8) 1.67 8.85 -65.49 1 5 0 65 292.379 4
Lo Low (pH 4.5-6) 1.67 6.64 -43.13 2 5 1 62 293.387 4

Activity (Go SEA)

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