UCSF

ZINC32213246

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.17 7 -4.27 1 3 0 28 309.457 6
Mid Mid (pH 6-8) 3.17 10.95 -34.79 2 3 1 29 310.465 6
Lo Low (pH 4.5-6) 3.18 11.06 -85.85 3 3 2 31 311.473 6
Lo Low (pH 4.5-6) 3.17 8.74 -48.4 2 3 1 33 310.465 6

Activity (Go SEA)

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