UCSF

ZINC37871221

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 2.97 7.93 -49.58 2 2 1 40 258.172 5
Hi High (pH 8-9.5) 2.97 6.72 -7.47 1 2 0 36 257.164 5

Activity (Go SEA)

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