UCSF

ZINC36853358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) -0.56 2.68 -58.2 3 6 1 83 268.337 5
Mid Mid (pH 6-8) -0.56 1.43 -15.04 2 6 0 79 267.329 5

Activity (Go SEA)

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