UCSF

ZINC37111125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.41 8.94 -127.68 4 2 2 32 272.436 6
Hi High (pH 8-9.5) 3.41 7.77 -32.34 3 2 1 30 271.428 6
Mid Mid (pH 6-8) 3.41 7.98 -48.95 3 2 1 31 271.428 6

Activity (Go SEA)

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