UCSF

ZINC36190099

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 No

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) 0.37 2.53 -39.28 2 4 1 40 244.384 2
Mid Mid (pH 6-8) 0.37 3.37 -42.05 2 4 1 37 244.384 2
Mid Mid (pH 6-8) 0.37 4.67 -96.94 3 4 2 41 245.392 2
Mid Mid (pH 6-8) 0.37 1.23 -6.01 1 4 0 36 243.376 2

Activity (Go SEA)

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