UCSF

ZINC09155455

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 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) 4.49 2.61 -12.76 0 6 0 61 406.461 6
Mid Mid (pH 6-8) 4.49 2.96 -50.95 1 6 1 63 407.469 6

Activity (Go SEA)

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