UCSF

ZINC32186317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 30 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) 3.15 7.27 -46.94 0 7 -1 93 423.832 5
Ref Reference (pH 7) 3.15 6.49 -47.62 0 7 -1 93 423.832 5
Lo Low (pH 4.5-6) 2.69 9.04 -14.77 1 7 0 90 424.84 5

Activity (Go SEA)

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