UCSF

ZINC34988820

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.19 8.13 -42.72 1 3 1 25 316.252 4
Mid Mid (pH 6-8) 3.19 7.98 -44.04 1 3 1 25 316.252 4
Lo Low (pH 4.5-6) 3.19 10.38 -113.23 2 3 2 26 317.26 4

Activity (Go SEA)

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