UCSF

ZINC00710860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 21 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) 5.17 -2.66 -7.69 1 3 0 46 368.296 4
Hi High (pH 8-9.5) 5.17 -2.15 -40.93 0 3 -1 48 367.288 4

Activity (Go SEA)

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