UCSF

ZINC02504101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 22 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) 3.69 8.2 -17.55 1 4 0 55 335.498 5
Hi High (pH 8-9.5) 3.87 6.99 -47.93 0 4 -1 61 334.49 5

Activity (Go SEA)

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