UCSF

ZINC36619217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 1.11 3.99 -15.44 1 8 0 99 362.393 4
Lo Low (pH 4.5-6) 1.11 4.45 -53.75 2 8 1 100 363.401 4

Activity (Go SEA)

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