UCSF

ZINC36875342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.10 3.17 -42.62 3 4 1 49 265.377 4
Hi High (pH 8-9.5) 0.10 2.77 -4.39 2 4 0 48 264.369 4
Lo Low (pH 4.5-6) 0.10 5.11 -126.92 4 4 2 51 266.385 4

Activity (Go SEA)

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