UCSF

ZINC13368809

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 29 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) 4.31 10.18 -10.66 2 5 0 61 382.467 3
Lo Low (pH 4.5-6) 4.31 10.46 -46.9 3 5 1 62 383.475 3

Activity (Go SEA)

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