UCSF

ZINC37164321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 15 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) 2.22 5.68 -46.78 3 3 1 44 208.329 6
Hi High (pH 8-9.5) 2.22 5.31 -4.56 2 3 0 42 207.321 6
Mid Mid (pH 6-8) 2.22 6.17 -98.92 4 3 2 45 209.337 6

Activity (Go SEA)

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