UCSF

ZINC37094612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.52 6.09 -43.16 3 2 1 31 201.378 8
Mid Mid (pH 6-8) 2.52 5.95 -116.03 4 2 2 32 202.386 8
Mid Mid (pH 6-8) 2.52 5.89 -26.44 3 2 1 30 201.378 8

Activity (Go SEA)

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