UCSF

ZINC32247964

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 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) 1.72 4.84 -7.81 1 4 0 42 288.391 5
Lo Low (pH 4.5-6) 1.91 4.5 -37.2 2 4 1 46 289.399 5
Lo Low (pH 4.5-6) 1.72 6.85 -51.16 2 4 1 43 289.399 5

Activity (Go SEA)

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