UCSF

ZINC60698777

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 2.24 6.47 -49.18 2 2 1 26 256.316 4
Hi High (pH 8-9.5) 2.24 6.78 -3.52 1 2 0 21 255.308 4

Activity (Go SEA)

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