UCSF

ZINC32105564

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 1.23 3.7 -42.44 2 4 1 38 251.35 5
Hi High (pH 8-9.5) 1.23 2.29 -6.3 1 4 0 34 250.342 5

Activity (Go SEA)

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