UCSF

ZINC32109451

Substance Information

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

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.43 7.92 -10.54 2 4 0 50 305.381 4
Hi High (pH 8-9.5) 3.43 9.04 -51.27 3 4 1 55 306.389 4
Mid Mid (pH 6-8) 3.43 8.37 -34.63 3 4 1 51 306.389 4

Activity (Go SEA)

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