UCSF

ZINC08994240

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 21 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) 0.87 4.95 -56.76 2 6 -1 98 300.319 2
Mid Mid (pH 6-8) 0.94 1.92 -144.1 1 6 -2 104 299.311 2
Mid Mid (pH 6-8) 1.72 3.26 -13.06 3 6 0 99 301.327 2

Activity (Go SEA)

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