UCSF

ZINC19437977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) 1.31 3.53 -43.92 4 4 1 66 251.35 6
Hi High (pH 8-9.5) 1.31 3.2 -10.24 3 4 0 64 250.342 6

Activity (Go SEA)

Rings

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