UCSF

ZINC42908212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.95 7.21 -113.87 4 2 2 32 220.36 4
Mid Mid (pH 6-8) 1.95 6.87 -31.14 3 2 1 30 219.352 4
Mid Mid (pH 6-8) 1.95 4.59 -40.8 3 2 1 31 219.352 4

Activity (Go SEA)

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