UCSF

ZINC10019789

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 30 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) 4.23 -0.55 -13.49 2 5 0 67 435.471 8
Mid Mid (pH 6-8) 4.23 -0.3 -40.79 3 5 1 68 436.479 8

Activity (Go SEA)

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