UCSF

ZINC03036413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 25 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) 3.89 8.44 -11.26 1 4 0 51 334.419 7
Mid Mid (pH 6-8) 3.96 6.88 -10.98 1 4 0 55 334.419 7

Activity (Go SEA)

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