UCSF

ZINC13883242

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 32 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) -1.96 5.78 -127.52 6 12 -2 205 442.432 9
Lo Low (pH 4.5-6) -1.96 3.8 -70.57 7 12 -1 202 443.44 9

Activity (Go SEA)

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