UCSF

ZINC36781278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.92 1.67 -35.5 4 5 1 75 242.343 5
Hi High (pH 8-9.5) 0.92 0.35 -7.61 3 5 0 70 241.335 5

Activity (Go SEA)

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