UCSF

ZINC43424464

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) 1.52 3.4 -5.55 2 4 0 51 219.288 1
Mid Mid (pH 6-8) 1.52 3.87 -30.19 3 4 1 53 220.296 1

Activity (Go SEA)

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