UCSF

ZINC00039723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) -3.04 -1.55 -20.67 4 7 0 111 209.209 3
Lo Low (pH 4.5-6) -0.97 -1.17 -50.44 5 7 1 109 210.217 3

Activity (Go SEA)

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