UCSF

ZINC42899501

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 0.25 5.49 -48.08 3 4 1 51 262.377 3
Mid Mid (pH 6-8) 0.25 6.21 -121.86 4 4 2 52 263.385 3

Activity (Go SEA)

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