UCSF

ZINC08969594

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 23 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) 4.98 5.59 -16.59 1 5 0 64 348.811 3
Ref Reference (pH 7) 4.06 6.66 -16.13 1 5 0 60 348.811 4
Hi High (pH 8-9.5) 4.13 5.27 -53.26 0 5 -1 67 347.803 4

Activity (Go SEA)

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