UCSF

ZINC60027343

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 32 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) -2.91 -1.7 -164.26 7 18 -2 288 537.233 8
Mid Mid (pH 6-8) -4.08 0.58 -368.45 5 18 -4 287 535.217 8

Activity (Go SEA)

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