UCSF

ZINC37228765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.72 9.13 -31.71 2 2 1 16 307.508 7
Hi High (pH 8-9.5) 3.72 6.67 -3.21 1 2 0 15 306.5 7
Lo Low (pH 4.5-6) 3.72 10.32 -104.02 3 2 2 21 308.516 7

Activity (Go SEA)

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