UCSF

ZINC45704403

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.19 4.4 -40.68 3 3 1 40 269.384 8
Mid Mid (pH 6-8) 2.19 5.17 -36.95 3 3 1 37 269.384 8
Lo Low (pH 4.5-6) 2.19 6.42 -120.44 4 3 2 41 270.392 8

Activity (Go SEA)

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