UCSF

ZINC27369868

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 21 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) 1.68 2.51 -28.55 2 6 0 89 371.212 3
Mid Mid (pH 6-8) 1.68 3.29 -70.99 1 6 -1 91 370.204 3

Activity (Go SEA)

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