UCSF

ZINC20160416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 24 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) 2.70 7.03 -44.29 0 5 -1 64 331.436 3
Mid Mid (pH 6-8) 2.70 9.24 -54.35 1 5 0 65 332.444 3
Lo Low (pH 4.5-6) 2.70 8.12 -45.04 2 5 1 62 333.452 3

Activity (Go SEA)

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