UCSF

ZINC36299440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 3.11 4.22 -44.74 3 4 1 63 391.138 7
Hi High (pH 8-9.5) 3.11 3.94 -44.56 2 4 0 65 390.13 7

Activity (Go SEA)

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