UCSF

ZINC12375622

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 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) 3.37 4.02 -3.37 2 3 0 51 243.744 1
Mid Mid (pH 6-8) 3.37 3.43 -36.04 3 3 1 53 244.752 1
Mid Mid (pH 6-8) 3.37 3.89 -39.08 3 3 1 53 244.752 1

Activity (Go SEA)

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