UCSF

ZINC34820424

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 19 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) 1.72 6.34 -58.91 1 6 -1 90 254.225 2
Mid Mid (pH 6-8) 2.18 5 -113.89 0 6 -2 93 253.217 2

Activity (Go SEA)

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