UCSF

ZINC37814509

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 4.35 9.16 -39.99 2 3 1 37 257.442 12
Hi High (pH 8-9.5) 4.35 7.72 -6.82 1 3 0 32 256.434 12

Activity (Go SEA)

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