UCSF

ZINC33321314

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 29 No

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) 3.03 5.93 -47.95 0 7 -1 93 393.419 6
Mid Mid (pH 6-8) 2.57 8.58 -11.7 1 7 0 90 394.427 6

Activity (Go SEA)

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