UCSF

ZINC36932544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.10 6.8 -1.93 1 3 0 24 310.869 7
Mid Mid (pH 6-8) 3.10 7.5 -38.67 2 3 1 29 311.877 7
Lo Low (pH 4.5-6) 3.10 8.6 -36.21 2 3 1 26 311.877 7

Activity (Go SEA)

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