UCSF

ZINC32102661

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) 2.90 7.87 -114.47 4 2 2 32 248.414 5
Mid Mid (pH 6-8) 2.90 5.75 -41.98 3 2 1 31 247.406 5

Activity (Go SEA)

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