UCSF

ZINC34991883

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.11 2.51 -42.3 3 4 1 55 341.172 9
Hi High (pH 8-9.5) 2.11 1.07 -8.44 2 4 0 51 340.164 9

Activity (Go SEA)

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