UCSF

ZINC36994114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 No

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) 1.65 5.25 -36.95 1 3 1 20 233.335 3
Mid Mid (pH 6-8) 1.65 2.87 -4.07 0 3 0 19 232.327 3
Lo Low (pH 4.5-6) 1.65 7.19 -113.64 2 3 2 21 234.343 3

Activity (Go SEA)

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