UCSF

ZINC02789658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 22 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) 3.09 8.26 -42.36 1 4 1 34 376.221 3
Mid Mid (pH 6-8) 3.09 6.1 -8.56 0 4 0 33 375.213 3

Activity (Go SEA)

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