UCSF

ZINC36780954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.98 1.46 -10.96 3 4 0 61 291.178 6
Mid Mid (pH 6-8) 2.98 2.21 -43.14 2 4 -1 64 290.17 6
Mid Mid (pH 6-8) 2.98 3.6 -36.95 3 4 0 69 291.178 6

Activity (Go SEA)

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