UCSF

ZINC32502148

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 32 No

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) 3.51 9.65 -53.9 1 6 1 56 439.507 5
Hi High (pH 8-9.5) 3.51 6.73 -9.37 0 6 0 55 438.499 5
Mid Mid (pH 6-8) 3.51 8.95 -47.18 1 6 1 56 439.507 5
Lo Low (pH 4.5-6) 3.51 11.98 -128.78 2 6 2 58 440.515 5

Activity (Go SEA)

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