UCSF

ZINC20340495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 No

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) 4.16 8.54 -7.91 2 2 0 39 266.369 2
Hi High (pH 8-9.5) 4.16 8.6 -39.28 1 2 -1 36 265.361 2
Lo Low (pH 4.5-6) 4.16 8.96 -29.19 3 2 1 40 267.377 2

Activity (Go SEA)

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