UCSF

ZINC19536601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 21 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) 3.79 10.13 -31.26 1 2 1 8 346.292 4
Mid Mid (pH 6-8) 3.79 10.19 -35.75 1 2 1 8 346.292 4
Mid Mid (pH 6-8) 3.79 7.86 -3.3 0 2 0 6 345.284 4

Activity (Go SEA)

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