UCSF

ZINC04756026

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 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) 4.08 6.03 -9.24 2 4 0 58 294.354 3
Hi High (pH 8-9.5) 4.08 6.81 -55.1 1 4 -1 61 293.346 3

Activity (Go SEA)

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