UCSF

ZINC36887113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 No

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) 1.72 4.71 -49.73 4 3 1 42 242.343 5
Hi High (pH 8-9.5) 1.72 2.25 -10.63 3 3 0 41 241.335 5

Activity (Go SEA)

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