UCSF

ZINC32105868

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 2.97 6.03 -35.63 2 3 1 29 251.394 9
Mid Mid (pH 6-8) 2.97 7.14 -33.76 2 3 1 26 251.394 9
Lo Low (pH 4.5-6) 2.97 8.57 -109.82 3 3 2 30 252.402 9

Activity (Go SEA)

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