UCSF

ZINC36288413

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) 0.73 1.23 -49.74 3 7 -1 125 292.296 4
Mid Mid (pH 6-8) 0.73 1.31 -123.72 2 7 -2 127 291.288 4

Activity (Go SEA)

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