UCSF

ZINC42058657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 26 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) 3.09 8.29 -35.18 0 5 -1 61 370.498 1
Mid Mid (pH 6-8) 2.63 9.56 -11.34 1 5 0 58 371.506 1

Activity (Go SEA)

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