UCSF

ZINC58283823

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 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) 2.04 8.04 -43.36 2 4 1 46 348.467 5
Mid Mid (pH 6-8) 2.04 5.83 -10.05 1 4 0 45 347.459 5

Activity (Go SEA)

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