UCSF

ZINC36611882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 33 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) 2.15 9.19 -14.96 0 8 0 72 463.973 4
Mid Mid (pH 6-8) 2.15 11.4 -63.3 1 8 1 73 464.981 4

Activity (Go SEA)

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