UCSF

ZINC13736560

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 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) 2.74 6.99 -42.03 3 4 1 46 341.475 8
Lo Low (pH 4.5-6) 2.74 5.95 -46.04 3 4 1 49 341.475 8

Activity (Go SEA)

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