UCSF

ZINC37334277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 1.94 6.38 -36.73 2 3 1 42 224.255 4
Hi High (pH 8-9.5) 1.94 4.98 -45.42 0 3 -1 43 222.239 4
Hi High (pH 8-9.5) 1.94 3.98 -7.15 1 3 0 41 223.247 4
Mid Mid (pH 6-8) 1.94 7.38 -47.42 1 3 0 45 223.247 4

Activity (Go SEA)

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