UCSF

ZINC58825947

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 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) 1.21 2.48 -7.74 4 5 0 87 216.244 2
Mid Mid (pH 6-8) 1.21 2.93 -29.29 5 5 1 88 217.252 2
Lo Low (pH 4.5-6) 1.21 2.78 -86.52 6 5 2 90 218.26 2

Activity (Go SEA)

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