UCSF

ZINC00586485

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 26 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) 1.42 10.93 -67.06 0 5 -1 75 351.357 4
Lo Low (pH 4.5-6) 1.42 11.21 -96.94 1 5 0 76 352.365 4

Activity (Go SEA)

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