UCSF

ZINC43413692

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.21 4.21 -71.22 3 5 0 86 242.319 6
Hi High (pH 8-9.5) 1.21 2.77 -53.63 2 5 -1 81 241.311 6
Lo Low (pH 4.5-6) 1.21 2.22 -43.3 4 5 1 83 243.327 6

Activity (Go SEA)

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