UCSF

ZINC45693237

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) 1.43 3.44 -46.04 4 4 1 63 264.393 8
Mid Mid (pH 6-8) 1.43 5.48 -41.75 4 4 1 60 264.393 8
Lo Low (pH 4.5-6) 1.43 5.23 -128.73 5 4 2 64 265.401 8

Activity (Go SEA)

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