UCSF

ZINC37811470

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.64 7.43 -98.09 4 4 2 52 311.495 5
Hi High (pH 8-9.5) 1.64 5.21 -9.16 2 4 0 50 309.479 5
Mid Mid (pH 6-8) 1.64 5.53 -43.6 3 4 1 51 310.487 5
Mid Mid (pH 6-8) 1.64 7.15 -42.42 3 4 1 51 310.487 5

Activity (Go SEA)

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