UCSF

ZINC44685780

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.62 9.38 -76.33 3 3 2 21 281.488 6
Lo Low (pH 4.5-6) 2.62 7.87 -96.35 3 3 2 24 281.488 6
Lo Low (pH 4.5-6) 2.62 10.26 -184.4 4 3 3 25 282.496 6

Activity (Go SEA)

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