UCSF

ZINC44684077

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 1.95 3.14 -40.72 3 3 1 40 233.335 4
Hi High (pH 8-9.5) 1.95 3.84 -31.58 2 3 0 43 232.327 4
Lo Low (pH 4.5-6) 1.95 5.49 -111.48 4 3 2 41 234.343 4
Lo Low (pH 4.5-6) 1.95 4.25 -33.76 3 3 1 37 233.335 4

Activity (Go SEA)

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