UCSF

ZINC26893800

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 26 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) 3.65 7.29 -7.81 1 4 0 32 349.478 5
Mid Mid (pH 6-8) 3.65 9.68 -43.2 2 4 1 33 350.486 5

Activity (Go SEA)

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