UCSF

ZINC03195180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 No

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) 3.49 9.3 -15.84 1 6 0 88 325.349 4
Hi High (pH 8-9.5) 3.56 7.26 -43.89 0 6 -1 94 324.341 4

Activity (Go SEA)

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