UCSF

ZINC02688795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 31 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) 3.40 7.08 -20.99 2 7 0 97 441.553 7
Hi High (pH 8-9.5) 2.75 -4.9 -46.49 1 7 -1 98 440.545 7

Activity (Go SEA)

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