UCSF

ZINC01588041

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) -0.94 1.15 -46.31 5 8 1 115 267.313 6
Lo Low (pH 4.5-6) -0.94 -3.01 -84.94 6 8 2 116 268.321 6

Activity (Go SEA)

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