UCSF

ZINC33816987

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.29 5.48 -39.54 2 4 0 66 307.147 3
Mid Mid (pH 6-8) 2.29 4.12 -5.94 2 4 0 62 307.147 3
Mid Mid (pH 6-8) 2.29 4.98 -47.58 1 4 -1 65 306.139 3
Lo Low (pH 4.5-6) 2.29 4.56 -41.06 3 4 1 63 308.155 3

Activity (Go SEA)

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