UCSF

ZINC00347176

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 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) 2.04 0.87 -18.06 1 3 0 42 216.215 2
Lo Low (pH 4.5-6) 2.04 0.52 -31.91 2 3 1 43 217.223 2

Activity (Go SEA)

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