UCSF

ZINC35644580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) 1.73 3.2 -61.21 2 5 0 78 291.376 5
Lo Low (pH 4.5-6) 1.73 3.18 -49.34 3 5 1 76 292.384 5
Lo Low (pH 4.5-6) 1.73 3.64 -73.14 3 5 1 79 292.384 5

Activity (Go SEA)

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