UCSF

ZINC37265084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.05 5.93 -4.68 1 2 0 25 198.335 4
Mid Mid (pH 6-8) 3.05 6.39 -23.78 2 2 1 26 199.343 4

Activity (Go SEA)

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