UCSF

ZINC18192714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 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) 3.18 7.1 -15.29 1 3 0 42 266.275 2
Lo Low (pH 4.5-6) 3.18 7.37 -34.28 2 3 1 43 267.283 2

Activity (Go SEA)

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