UCSF

ZINC44670780

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 25 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) 6.15 12.41 -53.07 2 2 1 34 377.335 4
Mid Mid (pH 6-8) 6.15 11.56 -5.32 1 2 0 29 376.327 4

Activity (Go SEA)

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