UCSF

ZINC36740503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 3.84 9.82 -34.62 2 4 1 46 389.567 5
Mid Mid (pH 6-8) 3.84 9.88 -91.94 3 4 2 47 390.575 5
Mid Mid (pH 6-8) 3.84 9.21 -91.69 3 4 2 47 390.575 5

Activity (Go SEA)

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