UCSF

ZINC36783287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 1.99 5.19 -26.56 3 3 1 43 192.286 3
Hi High (pH 8-9.5) 1.99 4.72 -4.55 2 3 0 42 191.278 3

Activity (Go SEA)

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