UCSF

ZINC36779475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.66 5.11 -44.08 4 2 1 48 242.342 4
Hi High (pH 8-9.5) 2.66 4.8 -4.88 3 2 0 46 241.334 4

Activity (Go SEA)

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