UCSF

ZINC37051753

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 5.47 -42.68 2 4 1 47 257.361 3
Hi High (pH 8-9.5) 0.70 5.1 -7.62 1 4 0 43 256.353 3
Lo Low (pH 4.5-6) 0.70 5.63 -104.44 3 4 2 49 258.369 3

Activity (Go SEA)

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