UCSF

ZINC37207976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) -1.43 2.35 -34.83 2 5 1 51 197.262 4
Hi High (pH 8-9.5) -1.43 1.89 -15.32 1 5 0 50 196.254 4
Mid Mid (pH 6-8) -1.43 3.72 -110.71 3 5 2 56 198.27 4
Mid Mid (pH 6-8) -1.43 3.25 -48.13 2 5 1 55 197.262 4

Activity (Go SEA)

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