UCSF

ZINC20519854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 14 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) 4.31 7.21 -39.48 2 1 1 17 212.279 8
Mid Mid (pH 6-8) 4.31 5.93 -1.99 1 1 0 12 211.271 8

Activity (Go SEA)

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