UCSF

ZINC37000698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.04 1.72 -49.1 5 7 1 123 268.293 5
Hi High (pH 8-9.5) 1.04 2.6 -66.92 4 7 0 126 267.285 5

Activity (Go SEA)

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