UCSF

ZINC31903381

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 4.74 12.41 -15.04 0 5 0 47 405.542 6
Mid Mid (pH 6-8) 4.74 12.93 -30 1 5 1 49 406.55 6

Activity (Go SEA)

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