UCSF

ZINC02007653

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 24 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) 4.32 -7.97 -10.58 3 7 0 99 327.388 7
Lo Low (pH 4.5-6) 4.32 -7.4 -34.61 4 7 1 100 328.396 7
Lo Low (pH 4.5-6) 4.32 -7.23 -29.08 4 7 1 100 328.396 7

Activity (Go SEA)

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