UCSF

ZINC36672472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 20 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) 0.06 1.3 -48.95 6 7 1 118 282.32 6
Hi High (pH 8-9.5) 0.06 0.9 -19.91 5 7 0 117 281.312 6

Activity (Go SEA)

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