UCSF

ZINC37098377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 2.40 6.45 -42.48 1 2 1 17 199.705 4
Hi High (pH 8-9.5) 2.40 4.12 -4.05 0 2 0 16 198.697 4

Activity (Go SEA)

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