UCSF

ZINC37325342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 3.32 10.67 -47.85 0 4 -1 58 303.407 6
Mid Mid (pH 6-8) 3.32 11.16 -38.87 1 4 0 59 304.415 6

Activity (Go SEA)

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