UCSF

ZINC00904255

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 25 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) 3.32 -5.57 -11.43 3 6 0 79 404.264 4
Mid Mid (pH 6-8) -0.42 -5.26 -30.19 4 6 1 81 405.272 4

Activity (Go SEA)

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