UCSF

ZINC36103399

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 2.11 5.5 -12.46 0 5 0 42 318.417 4
Mid Mid (pH 6-8) 2.11 7.5 -49.43 1 5 1 43 319.425 4

Activity (Go SEA)

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