UCSF

ZINC08993356

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 26 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) 3.15 4.43 -42.36 0 5 -1 73 383.836 2
Lo Low (pH 4.5-6) 2.96 6.68 -10.94 1 5 0 66 384.844 2
Lo Low (pH 4.5-6) 2.96 6.95 -12.08 1 5 0 66 384.844 2

Activity (Go SEA)

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