UCSF

ZINC51397920

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 17 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) 2.31 6 -46.08 3 3 1 44 313.244 4
Hi High (pH 8-9.5) 2.31 5.6 -4.67 2 3 0 42 312.236 4
Mid Mid (pH 6-8) 2.31 5.67 -29.5 3 3 1 43 313.244 4
Lo Low (pH 4.5-6) 2.31 6.06 -109.16 4 3 2 45 314.252 4

Activity (Go SEA)

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