UCSF

ZINC19796672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 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) 3.23 6.97 -15.81 1 8 0 90 439.493 5
Hi High (pH 8-9.5) 3.30 6.07 -47.64 0 8 -1 96 438.485 5

Activity (Go SEA)

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