UCSF

ZINC11821348

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 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) 1.97 -2.33 -49.5 2 9 1 97 367.437 5
Lo Low (pH 4.5-6) 1.97 -2.24 -126.95 3 9 2 99 368.445 5

Activity (Go SEA)

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