UCSF

ZINC21629014

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 1.92 6.3 -56.34 1 6 1 62 384.497 4
Mid Mid (pH 6-8) 1.92 7.2 -19.57 0 6 0 61 383.489 4

Activity (Go SEA)

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