UCSF

ZINC15931974

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 31 No

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) 6.16 12.03 -54.31 1 6 -1 95 429.477 6
Mid Mid (pH 6-8) 5.67 10.67 -111.02 0 6 -2 93 428.469 7

Activity (Go SEA)

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