UCSF

ZINC31911461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.13 6.35 -102.93 4 3 2 46 219.332 2
Hi High (pH 8-9.5) 1.13 5.62 -7.91 2 3 0 43 217.316 2
Mid Mid (pH 6-8) 1.13 5.91 -50.26 3 3 1 45 218.324 2

Activity (Go SEA)

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