UCSF

ZINC37080635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.30 4.46 -49.29 3 2 1 31 205.325 5
Hi High (pH 8-9.5) 1.30 4.12 -1.96 2 2 0 29 204.317 5
Mid Mid (pH 6-8) 1.30 5.89 -30.31 3 2 1 30 205.325 5
Mid Mid (pH 6-8) 1.30 6.12 -117.7 4 2 2 32 206.333 5

Activity (Go SEA)

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