UCSF

ZINC13058052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 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) 3.08 8.59 -33.55 1 4 1 39 334.852 4
Hi High (pH 8-9.5) 3.08 8.38 -10.98 0 4 0 38 333.844 4
Lo Low (pH 4.5-6) 3.08 10.78 -41.42 1 4 1 39 334.852 4

Activity (Go SEA)

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