UCSF

ZINC37334031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 17 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 4.12 -39.12 3 4 1 62 236.291 5
Hi High (pH 8-9.5) 1.67 2.89 -53.87 1 4 -1 64 234.275 5
Mid Mid (pH 6-8) 1.67 5.13 -54.62 2 4 0 65 235.283 5
Mid Mid (pH 6-8) 1.67 1.8 -9.92 2 4 0 61 235.283 5

Activity (Go SEA)

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