UCSF

ZINC37099631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 3.21 6.88 -33.19 2 2 1 16 265.343 3
Mid Mid (pH 6-8) 3.21 5.58 -35 2 2 1 20 265.343 3
Lo Low (pH 4.5-6) 3.21 7.95 -99.76 3 2 2 21 266.351 3

Activity (Go SEA)

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