UCSF

ZINC12958512

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 22 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) 0.08 0.97 -12.2 3 9 0 118 307.31 2
Lo Low (pH 4.5-6) 0.08 1.23 -32.63 4 9 1 119 308.318 2
Lo Low (pH 4.5-6) 0.08 -3.19 -30.82 4 9 1 119 308.318 2

Activity (Go SEA)

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