UCSF

ZINC13650108

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 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) -1.32 -5.37 -60.19 9 11 1 187 383.429 8
Lo Low (pH 4.5-6) -1.32 -5.11 -96.56 10 11 2 189 384.437 8
Lo Low (pH 4.5-6) -1.32 -9.49 -95.76 10 11 2 189 384.437 8

Activity (Go SEA)

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