UCSF

ZINC12401906

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 21 No

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) 3.01 8.35 -15.12 1 4 0 32 301.415 4
Lo Low (pH 4.5-6) 3.05 10.27 -53.61 2 4 1 35 302.423 4

Activity (Go SEA)

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