UCSF

ZINC36765927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 4.97 10.08 -6.09 2 3 0 44 348.288 4
Mid Mid (pH 6-8) 4.97 10.21 -30.08 3 3 1 45 349.296 4

Activity (Go SEA)

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