UCSF

ZINC37249048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.73 5.11 -35.92 2 3 1 30 209.313 3
Mid Mid (pH 6-8) 1.73 3.74 -35.04 2 3 1 33 209.313 3
Lo Low (pH 4.5-6) 1.73 6.13 -100.65 3 3 2 34 210.321 3

Activity (Go SEA)

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