UCSF

ZINC36997077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.98 10.27 -33.14 2 2 1 16 328.307 4
Mid Mid (pH 6-8) 3.98 8.79 -36.24 2 2 1 20 328.307 4
Lo Low (pH 4.5-6) 3.98 11.05 -112.64 3 2 2 21 329.315 4

Activity (Go SEA)

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