UCSF

ZINC02626786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 22 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) 2.11 2.95 -49.76 4 6 1 94 326.442 5
Hi High (pH 8-9.5) 1.93 2.08 -34.29 3 6 0 100 325.434 5

Activity (Go SEA)

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