UCSF

ZINC37259769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 3.18 7.3 -33.85 2 2 1 16 225.4 4
Mid Mid (pH 6-8) 3.18 6.59 -34.76 2 2 1 20 225.4 4
Lo Low (pH 4.5-6) 3.18 8.47 -102.44 3 2 2 21 226.408 4

Activity (Go SEA)

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