UCSF

ZINC36754359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 13 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) -1.00 1.15 -40.89 3 5 1 69 183.235 2
Mid Mid (pH 6-8) -1.00 -0.79 -47.7 3 5 1 70 183.235 2
Lo Low (pH 4.5-6) -1.00 1.47 -112.73 4 5 2 71 184.243 2

Activity (Go SEA)

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