UCSF

ZINC04648776

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2005 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) 4.13 1.82 -7.69 1 3 0 41 364.071 1
Lo Low (pH 4.5-6) 4.13 1.95 -31.42 2 3 1 42 365.079 1

Activity (Go SEA)

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