UCSF

ZINC09338968

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 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) 2.46 -0.53 -14.55 1 7 0 94 334.335 3
Lo Low (pH 4.5-6) 2.46 -0.88 -40.75 2 7 1 95 335.343 3

Activity (Go SEA)

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