UCSF

ZINC32188974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 25 No

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) 3.82 9.82 -7.56 0 6 0 65 354.435 4
Mid Mid (pH 6-8) 3.82 12.03 -52.84 1 6 1 66 355.443 4

Activity (Go SEA)

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