UCSF

ZINC40405441

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 22 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) 3.31 10.77 -87.73 1 5 0 62 303.406 7
Hi High (pH 8-9.5) 3.31 8.66 -54.75 0 5 -1 61 302.398 7
Lo Low (pH 4.5-6) 3.31 11.22 -109.07 2 5 1 64 304.414 7

Activity (Go SEA)

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