UCSF

ZINC36992079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 4.77 10.53 -95.86 3 2 2 21 316.942 6
Hi High (pH 8-9.5) 4.77 9.74 -33.56 2 2 1 16 315.934 6

Activity (Go SEA)

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