UCSF

ZINC33774649

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 No

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) 2.81 7.92 -63.65 0 9 -1 105 497.568 11
Mid Mid (pH 6-8) 2.81 10.26 -83.09 1 9 0 106 498.576 11
Lo Low (pH 4.5-6) 2.81 9.3 -62.04 2 9 1 103 499.584 11

Activity (Go SEA)

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