UCSF

ZINC36999925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 4.34 9.98 -32.63 2 2 1 16 340.329 6
Mid Mid (pH 6-8) 4.34 8.63 -39.48 2 2 1 20 340.329 6
Lo Low (pH 4.5-6) 4.34 10.86 -104.62 3 2 2 21 341.337 6

Activity (Go SEA)

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