UCSF

ZINC32210411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.93 3.42 -5.63 1 5 0 43 308.422 8
Mid Mid (pH 6-8) 1.93 4.83 -43.08 2 5 1 48 309.43 8
Lo Low (pH 4.5-6) 1.93 5.75 -38.35 2 5 1 44 309.43 8

Activity (Go SEA)

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