UCSF

ZINC05408732

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 27 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) 1.55 3.89 -64.93 1 7 -1 99 368.365 5
Mid Mid (pH 6-8) 1.99 -0.75 -21.2 2 7 0 96 369.373 4

Activity (Go SEA)

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