UCSF

ZINC00839529

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 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) 2.40 -2.69 -8.47 1 7 0 75 353.426 3
Mid Mid (pH 6-8) -1.65 -2.43 -35.4 2 7 1 78 354.434 2

Activity (Go SEA)

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