UCSF

ZINC43395654

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.44 5.68 -106.97 4 4 2 58 244.342 4
Mid Mid (pH 6-8) 0.44 5.24 -53.21 3 4 1 57 243.334 4
Lo Low (pH 4.5-6) 0.44 6.14 -170.2 5 4 3 59 245.35 4

Activity (Go SEA)

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