UCSF

ZINC19899438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.48 11.26 -36.57 1 4 1 28 350.486 3
Hi High (pH 8-9.5) 3.48 9.01 -9.57 0 4 0 27 349.478 3

Activity (Go SEA)

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