UCSF

ZINC27737355

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 17 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) 0.38 4.4 -47.75 2 5 1 54 242.343 6
Hi High (pH 8-9.5) 0.38 2.07 -16.38 1 5 0 53 241.335 6

Activity (Go SEA)

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