UCSF

ZINC36752889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 3.43 4.25 -9.17 2 4 0 58 371.231 3
Mid Mid (pH 6-8) 3.43 4.35 -46.81 1 4 -1 60 370.223 3

Activity (Go SEA)

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