UCSF

ZINC34921085

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 2.12 7.11 -19.14 0 7 0 62 429.561 4
Mid Mid (pH 6-8) 2.12 9.34 -50.26 1 7 1 64 430.569 4

Activity (Go SEA)

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