UCSF

ZINC37094759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.42 7.09 -126.97 4 2 2 32 254.443 7
Mid Mid (pH 6-8) 2.42 5.05 -45.9 3 2 1 31 253.435 7
Mid Mid (pH 6-8) 2.42 6.63 -29.94 3 2 1 30 253.435 7

Activity (Go SEA)

Rings

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