UCSF

ZINC12537640

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 22 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) 3.12 7.88 -10.53 0 4 0 43 301.386 2
Lo Low (pH 4.5-6) 3.12 10.23 -53.57 1 4 1 44 302.394 2

Activity (Go SEA)

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