UCSF

ZINC09210986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 30 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) 3.53 2.7 -13.12 0 5 0 63 420.827 2
Lo Low (pH 4.5-6) 3.53 2.83 -33.08 1 5 1 64 421.835 2

Activity (Go SEA)

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