UCSF

ZINC70258090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2011 18 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) 3.10 6.4 -46.85 3 2 1 31 312.275 3
Lo Low (pH 4.5-6) 3.10 7.91 -125.75 4 2 2 32 313.283 3

Activity (Go SEA)

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