UCSF

ZINC36983380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) -2.75 0.4 -44.86 2 9 -1 143 302.288 3
Mid Mid (pH 6-8) -2.30 -2.11 -100.92 1 9 -2 146 301.28 3
Mid Mid (pH 6-8) -2.30 -2.24 -103.9 1 9 -2 146 301.28 3

Activity (Go SEA)

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