UCSF

ZINC37051754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.70 6.25 -43.08 2 4 1 47 257.361 3
Hi High (pH 8-9.5) 0.70 5.32 -8.81 1 4 0 43 256.353 3
Lo Low (pH 4.5-6) 0.70 6.42 -103.03 3 4 2 49 258.369 3

Activity (Go SEA)

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