UCSF

ZINC35022016

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 4.08 9.16 -36.15 1 2 1 22 305.261 7
Mid Mid (pH 6-8) 4.08 7.18 -4.52 0 2 0 20 304.253 7

Activity (Go SEA)

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