UCSF

ZINC21704492

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 No

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) 2.82 9.44 -40.78 1 7 0 86 421.526 5
Hi High (pH 8-9.5) 2.82 7.24 -46.74 0 7 -1 85 420.518 5
Mid Mid (pH 6-8) 3.00 8.23 -24 1 7 0 78 421.526 5
Lo Low (pH 4.5-6) 3.00 10.52 -59.96 2 7 1 80 422.534 5

Activity (Go SEA)

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