UCSF

ZINC43395579

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 0.70 4.93 -95.86 4 3 2 45 193.294 3
Mid Mid (pH 6-8) 0.70 4.49 -45.87 3 3 1 44 192.286 3

Activity (Go SEA)

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