UCSF

ZINC19430384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.90 6.05 -103.09 4 3 2 35 269.477 4
Hi High (pH 8-9.5) 2.90 3.74 -44.61 3 3 1 34 268.469 4
Mid Mid (pH 6-8) 2.90 5.51 -127.36 4 3 2 35 269.477 4

Activity (Go SEA)

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