UCSF

ZINC32199211

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) 2.81 4.54 -4.53 1 4 0 34 304.434 7
Mid Mid (pH 6-8) 2.81 5.95 -45.04 2 4 1 38 305.442 7
Lo Low (pH 4.5-6) 2.81 6.87 -37.92 2 4 1 35 305.442 7

Activity (Go SEA)

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