UCSF

ZINC36998122

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) 2.76 9.26 -41 2 3 1 34 304.845 4
Mid Mid (pH 6-8) 2.76 8.29 -6.15 1 3 0 30 303.837 4
Lo Low (pH 4.5-6) 2.76 9.43 -102.7 3 3 2 36 305.853 4

Activity (Go SEA)

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