UCSF

ZINC35717424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 2.35 4.93 -46.06 3 3 1 48 253.391 3
Mid Mid (pH 6-8) 2.35 4.65 -6.55 2 3 0 46 252.383 3

Activity (Go SEA)

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