UCSF

ZINC60701083

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 16 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) 4.12 7.68 -32.51 2 2 1 29 221.368 7
Hi High (pH 8-9.5) 4.12 6.43 -4.27 1 2 0 25 220.36 7
Lo Low (pH 4.5-6) 4.12 7.24 -25.47 2 2 1 26 221.368 7

Activity (Go SEA)

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