UCSF

ZINC34320937

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 30 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) 1.26 11.38 -66.51 1 7 -1 99 415.51 10
Mid Mid (pH 6-8) 1.26 12.21 -64.77 2 7 0 103 416.518 10

Activity (Go SEA)

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