UCSF

ZINC13127602

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 3.41 9.95 -14 0 6 0 65 319.368 3
Mid Mid (pH 6-8) 3.41 10.28 -36.09 1 6 1 67 320.376 3

Activity (Go SEA)

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