UCSF

ZINC37122702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.11 6.65 -53.75 2 4 -1 72 325.171 4
Mid Mid (pH 6-8) 4.11 7.4 -94.23 1 4 -2 75 324.163 4

Activity (Go SEA)

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