UCSF

ZINC21790410

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.04 8.2 -36.4 2 2 1 20 263.449 6
Mid Mid (pH 6-8) 4.04 8.89 -32.16 2 2 1 16 263.449 6
Lo Low (pH 4.5-6) 4.04 10.18 -115.06 3 2 2 21 264.457 6

Activity (Go SEA)

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