UCSF

ZINC10652406

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2007 28 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) 2.14 -5.38 -24.03 2 8 0 102 402.476 8
Mid Mid (pH 6-8) 2.14 -5.2 -36.18 3 8 1 103 403.484 8

Activity (Go SEA)

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