UCSF

ZINC07978383

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 25 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) 3.94 11.75 -11.84 0 6 0 70 361.467 8
Lo Low (pH 4.5-6) 3.94 11.88 -33.66 1 6 1 71 362.475 8

Activity (Go SEA)

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