UCSF

ZINC36996557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 2.13 6.4 -31.8 2 2 1 16 237.392 3
Mid Mid (pH 6-8) 2.13 5.28 -40.19 2 2 1 20 237.392 3
Lo Low (pH 4.5-6) 2.13 7.54 -109.93 3 2 2 21 238.4 3

Activity (Go SEA)

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