UCSF

ZINC41677071

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.01 7.33 -86.64 3 3 2 31 209.337 6
Hi High (pH 8-9.5) 2.01 4.33 -3.95 1 3 0 28 207.321 6
Mid Mid (pH 6-8) 2.01 6.78 -34.65 2 3 1 29 208.329 6

Activity (Go SEA)

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