UCSF

ZINC34992479

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 4.70 11.02 -117.26 3 2 2 21 290.495 5
Mid Mid (pH 6-8) 4.70 9.76 -30.57 2 2 1 16 289.487 5
Mid Mid (pH 6-8) 4.70 9.01 -36.83 2 2 1 20 289.487 5

Activity (Go SEA)

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