UCSF

ZINC36296079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 1.10 -0.07 -10.97 3 6 0 94 279.321 4
Mid Mid (pH 6-8) 1.10 -0.05 -45.22 2 6 -1 96 278.313 4

Activity (Go SEA)

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