UCSF

ZINC37463989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 1.11 4.03 -104.28 0 6 -2 101 292.316 6
Mid Mid (pH 6-8) 1.11 3.9 -53.38 1 6 -1 99 293.324 6
Mid Mid (pH 6-8) 1.11 4.45 -67.51 1 6 -1 103 293.324 6

Activity (Go SEA)

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