UCSF

ZINC09466994

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 19 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) 2.58 -0.16 -7.76 1 4 0 46 259.353 2
Mid Mid (pH 6-8) 2.58 0.11 -41.9 2 4 1 48 260.361 2

Activity (Go SEA)

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