UCSF

ZINC37266095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) -1.04 2.71 -43.3 3 4 1 49 263.361 2
Hi High (pH 8-9.5) -1.04 2.43 -4.41 2 4 0 48 262.353 2
Lo Low (pH 4.5-6) -1.04 4.62 -129.44 4 4 2 51 264.369 2

Activity (Go SEA)

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