UCSF

ZINC00074660

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 2.50 3.67 -43.81 0 4 -1 61 301.269 4
Mid Mid (pH 6-8) 2.50 4.18 -31.16 1 4 0 62 302.277 4
Mid Mid (pH 6-8) 2.50 3.67 -10.29 1 4 0 59 302.277 4

Activity (Go SEA)

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