UCSF

ZINC44894081

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 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) 0.41 0.44 -51.1 4 6 1 94 334.368 5
Hi High (pH 8-9.5) 0.41 0.74 -49.52 3 6 0 96 333.36 5

Activity (Go SEA)

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