UCSF

ZINC19470908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) 2.42 3.3 -39.21 0 4 -1 61 312.168 3
Mid Mid (pH 6-8) 2.42 3.23 -11.97 1 4 0 59 313.176 3
Lo Low (pH 4.5-6) 2.42 3.73 -44.12 1 4 0 62 313.176 3

Activity (Go SEA)

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