UCSF

ZINC01136898

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 1.91 7.3 -18.89 2 8 0 98 411.487 8
Lo Low (pH 4.5-6) 2.16 3.91 -42.81 3 8 1 107 412.495 8

Activity (Go SEA)

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