UCSF

ZINC37080632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 1.15 2.6 -43.98 3 2 1 31 171.308 5
Mid Mid (pH 6-8) 1.15 4.78 -26.53 3 2 1 30 171.308 5
Mid Mid (pH 6-8) 1.15 4.86 -111.52 4 2 2 32 172.316 5

Activity (Go SEA)

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