UCSF

ZINC41731443

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 1.00 8.56 -39.83 3 2 1 33 253.369 1
Hi High (pH 8-9.5) 1.00 8.24 -4.96 2 2 0 31 252.361 1

Activity (Go SEA)

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