UCSF

ZINC36633971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 No

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) 2.08 7.94 -14.16 0 6 0 53 383.423 4
Mid Mid (pH 6-8) 2.08 10.08 -47.62 1 6 1 54 384.431 4

Activity (Go SEA)

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