UCSF

ZINC44886447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) 0.58 1.55 -44.55 2 8 -1 111 305.343 5
Lo Low (pH 4.5-6) 0.58 1.82 -14.06 3 8 0 113 306.351 5

Activity (Go SEA)

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