UCSF

ZINC34616522

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 2.59 3.18 -108.06 0 6 -2 106 281.223 3
Mid Mid (pH 6-8) 2.13 5.8 -51.92 1 6 -1 103 282.231 3

Activity (Go SEA)

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