UCSF

ZINC76442113

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2012 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) 2.88 9.07 -53.74 0 4 -1 56 275.353 4
Mid Mid (pH 6-8) 2.88 9.5 -40.83 1 4 0 58 276.361 4

Activity (Go SEA)

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