UCSF

ZINC35013009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.12 7.65 -4.27 1 2 0 25 252.361 3
Mid Mid (pH 6-8) 3.12 8.59 -44.26 2 2 1 29 253.369 3
Lo Low (pH 4.5-6) 3.12 9.06 -108.16 3 2 2 31 254.377 3

Activity (Go SEA)

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