UCSF

ZINC44116618

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 0.13 1.09 -35.64 2 5 1 46 257.354 1
Mid Mid (pH 6-8) 0.13 -1.29 -5.74 1 5 0 45 256.346 1

Activity (Go SEA)

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