UCSF

ZINC44694568

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.28 4.4 -66.77 2 6 0 91 316.404 5
Hi High (pH 8-9.5) 1.28 2.02 -45.29 1 6 -1 90 315.396 5
Hi High (pH 8-9.5) 1.28 4.15 -78.3 1 6 -1 93 315.396 5

Activity (Go SEA)

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