UCSF

ZINC43395475

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) -0.20 1.55 -110.21 5 5 2 74 222.292 2
Hi High (pH 8-9.5) -0.20 0.7 -9.88 3 5 0 71 220.276 2
Mid Mid (pH 6-8) -0.20 1.11 -55.49 4 5 1 73 221.284 2

Activity (Go SEA)

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