UCSF

ZINC09281102

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 29 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) 4.82 1.54 -12.63 0 5 0 63 447.288 2
Lo Low (pH 4.5-6) 4.82 1.7 -30.96 1 5 1 64 448.296 2

Activity (Go SEA)

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