UCSF

ZINC13687190

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 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) 2.62 6.56 -7.18 0 3 0 24 290.451 1
Mid Mid (pH 6-8) 2.62 8.92 -46.87 1 3 1 25 291.459 1

Activity (Go SEA)

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