UCSF

ZINC00825622

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 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) 5.67 9.21 -10.97 0 4 0 34 358.441 1
Lo Low (pH 4.5-6) 5.67 9.55 -29.82 1 4 1 36 359.449 1

Activity (Go SEA)

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