UCSF

ZINC34698814

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 37 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) 7.26 15.4 -7.93 0 3 0 24 519.104 7
Mid Mid (pH 6-8) 7.26 17.97 -38.32 1 3 1 25 520.112 7

Activity (Go SEA)

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