UCSF

ZINC24985641

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 28 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) 1.25 6.22 -42.81 4 7 1 91 382.488 4
Hi High (pH 8-9.5) 1.25 5.75 -14.35 3 7 0 90 381.48 4
Mid Mid (pH 6-8) 1.25 6.92 -53.09 4 7 1 95 382.488 4
Lo Low (pH 4.5-6) 1.25 7.4 -115.53 5 7 2 96 383.496 4

Activity (Go SEA)

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