UCSF

ZINC00786370

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 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) 5.56 0.53 -10.26 1 5 0 56 386.451 6
Mid Mid (pH 6-8) 5.56 0.73 -33.1 2 5 1 57 387.459 6

Activity (Go SEA)

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