UCSF

ZINC32186353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 31 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) 3.95 7.9 -47.72 0 7 -1 93 437.859 5
Ref Reference (pH 7) 3.95 7.14 -48.83 0 7 -1 93 437.859 5
Lo Low (pH 4.5-6) 3.49 9.66 -14.71 1 7 0 90 438.867 5

Activity (Go SEA)

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