UCSF

ZINC42211412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 3.13 10.07 -35.16 1 2 1 28 243.374 3
Hi High (pH 8-9.5) 3.13 7.9 -5.28 0 2 0 27 242.366 3

Activity (Go SEA)

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