UCSF

ZINC36092295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) -1.00 5.74 -67.19 3 7 0 108 289.291 6
Mid Mid (pH 6-8) -1.00 5.23 -65.04 2 7 -1 107 288.283 6

Activity (Go SEA)

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