UCSF

ZINC51919341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 18 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) 1.62 6.3 -92.57 3 3 2 24 255.45 5
Mid Mid (pH 6-8) 1.62 6.06 -78.12 3 3 2 24 255.45 5
Mid Mid (pH 6-8) 1.62 8.55 -166.27 4 3 3 25 256.458 5

Activity (Go SEA)

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